Comparison of the central cavities for the NaAtm1 structures. Surface representations of the overall structures and internal binding cavities for (A) NaAtm1 wide-open inward-facing conformation, (B) NaAtm1 inward-facing conformation (PDB ID: 4MRN), (C) NaA527C inward-facing occluded state #1, (D) NaA527C inward-facing occluded state #2, (E) NaS526C occluded conformation, (F) NaT525C occluded conformation, (G) NaE523Q occluded conformation, (H) NaAtm1 MgAMPPNP-bound occluded structure, and (I) NaAtm1 MgADPVO4-bound closed structure. (J) Surface representation of the overall structure and central binding cavity of Sav1866 in the outward-facing conformation (PDB ID: 2HYD). The cavity of the NaAtm1 wide-open inward-facing structure is shown in cyan, the NaAtm1 inward-facing structure is shown in gray, the NaA527C inward-occluded structure #1 in yellow, the NaA527C inward-occluded structure #2 in red, the NaS526C occluded structure in blue, the NaT525C occluded structure in purple, the NaE523Q occluded structure in pink, the NaAtm1 MgAMPPNP occluded structure in orange, and the Sav1866 outward-facing structure in brown. The volumes of the cavities were all calculated by CastP (36) with a probe radius of 2.5 Å.